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BDBM50054027 (E)-6-(2-Hydroxy-6-methoxy-4,5-dimethyl-3-nitro-phenyl)-4-methyl-hex-4-enoic acid::CHEMBL134206

SMILES: COc1c(C)c(C)c(c(O)c1C\C=C(/C)CCC(O)=O)[N+]([O-])=O

InChI Key: InChIKey=KDCYIKCMLNKLBW-WEVVVXLNSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50054027   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Inosine Monophosphate Dehydrogenase Type 2 (IMPDH2)


(Homo sapiens (human))
BDBM50054027
PNG
((E)-6-(2-Hydroxy-6-methoxy-4,5-dimethyl-3-nitro-ph...)
Show SMILES COc1c(C)c(C)c(c(O)c1C\C=C(/C)CCC(O)=O)[N+]([O-])=O
Show InChI InChI=1S/C16H21NO6/c1-9(6-8-13(18)19)5-7-12-15(20)14(17(21)22)10(2)11(3)16(12)23-4/h5,20H,6-8H2,1-4H3,(H,18,19)/b9-5+
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 184n/an/an/an/an/an/a



Syntex Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant inosine monophosphate dehydrogenase type II .


J Med Chem 39: 4181-96 (1996)


Article DOI: 10.1021/jm9603633
BindingDB Entry DOI: 10.7270/Q2668C8Q
More data for this
Ligand-Target Pair